2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-cyclopropylacetamide

C19H22N2O3S — CID 5017086

IUPAC2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-cyclopropylacetamide
SMILESCc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C19H22N2O3S/c1-14-8-11-18(15(2)12-14)21(13-19(22)20-16-9-10-16)25(23,24)17-6-4-3-5-7-17/h3-8,11-12,16H,9-10,13H2,1-2H3,(H,20,22)
InChIKeyMECGLBXWJREMDT-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.78
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-cyclopropylacetamide

2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-cyclopropylacetamide (PubChem CID 5017086) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-cyclopropylacetamide
PubChem CID5017086
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-cyclopropylacetamide
SMILESCc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C19H22N2O3S/c1-14-8-11-18(15(2)12-14)21(13-19(22)20-16-9-10-16)25(23,24)17-6-4-3-5-7-17/h3-8,11-12,16H,9-10,13H2,1-2H3,(H,20,22)
InChIKeyMECGLBXWJREMDT-UHFFFAOYSA-N
XLogP2.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-cyclopropylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-cyclopropylacetamide (CID 5017086) is 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-cyclopropylacetamide is Cc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-cyclopropylacetamide?
The InChIKey is MECGLBXWJREMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14-8-11-18(15(2)12-14)21(13-19(22)20-16-9-10-16)25(23,24)17-6-4-3-5-7-17/h3-8,11-12,16H,9-10,13H2,1-2H3,(H,20,22).
What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-cyclopropylacetamide?
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-cyclopropylacetamide has a molecular weight of 358.46 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-cyclopropylacetamide is sourced from PubChem (CID 5017086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).